SCHEMBL8937378

SCHEMBL8937378

COc1cc(S(=O)(=O)N2CCNCC2)cc(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
IKBKB O14920 1/20 0.54
CHUK O15111 1/20 0.54
GPBAR1 Q8TDU6 1/20 0.50
TSHR P16473 1/20 0.48
MCOLN3 Q8TDD5 1/20 0.48
MAPT P10636 1/20 0.47
PKM P14618 3/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
HTR6 P50406 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4180101 0.83 GPBAR1 (0.73) KMT2AGPBAR1TSHRMCOLN3MAPT
SCHEMBL12655867 0.81 GPBAR1 (0.50) KMT2AGPBAR1TSHRMCOLN3PKM
SCHEMBL9976104 0.81 LMNA (0.58) KMT2AGPBAR1TSHRMCOLN3MAPT
SCHEMBL4184459 0.79 GPBAR1 (0.74) KMT2AGPBAR1TSHRMCOLN3MAPT
SCHEMBL27334375 0.77 KMT2A (0.58) KMT2AGPBAR1TSHRMCOLN3MAPT
SCHEMBL12655869 0.76 CYP1A2 (0.42) KMT2AGPBAR1TSHRMCOLN3PKM
SCHEMBL1352340 0.74 PKM (0.77) KMT2AIKBKBCHUKTSHRMAPT
Hydrochloric Acid SCHEMBL3245890 0.73 PKM (0.75) KMT2AIKBKBCHUKTSHRMAPT
SCHEMBL10573633 0.73 KMT2A (0.64) KMT2ATSHRMCOLN3MAPTALDH1A1
SCHEMBL30885724 0.73 PKM (0.61) KMT2ATSHRMAPTPKMALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559109-A Method of treating a PAF-mediated pathology or for treating or preventing psoriasis, nephritis, asthma or shock by administering a PAF antagonist SANKKO COMPANY, LIMITED (JP) 1996-09-24 US disclosed
US-5556852-A PLATELET ACTIVATING FACTOR ANTAGONISTS SANKYO COMPANY, LIMITED (JP) 1996-09-17 US disclosed
EP-0395446-B1 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists SANKYO CO (JP) 1995-03-01 EP disclosed
US-5369106-A N-acryloylpiperazine derivatives, their preparation and their use of PAF antagonists SANKYO COMPANY, LIMITED (JP) 1994-11-29 US disclosed
US-5192766-A Platelet activating factor antagonist SANKYO COMPANY, LIMITED (JP) 1993-03-09 US disclosed
EP-0395446-A2 N-acryloylpiperazine derivatives, their preparation and their use as paf antagonists Sankyo Company Limited (JP) 1990-10-31 EP disclosed